Abstract

An additivity principle was formulated for functional and atom groups and their structural and interactional contributions to the log L 16 criterion, expressing apolar solute-solvent interactions in gas-liquid chromatography. Numerical values were calculated for the contributions of 27 groups and 9 structural and 10 interactional contributions. The correlation coefficients between recalculated and measured values of log L 16 for two sets, consisting of 336 monofunctional and 481 both mono- and polyfunctional compounds, were 0.998 and 0.997, respectively. The precision of the prediction of the log L 16 criterion was tested on an independent data set, obtaining a correlation coefficient of 0.988.

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